![2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/4887/488706-52-1.webp)
2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 488706-52-1) is a chemical compound with molecular formula C20H27FN2O and molecular weight 330.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, AO-567/40646711, 2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazaadamantan-6-one, 2-(4-fluorophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one, (1R,3S,5r,7r)-2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazaadamantan-6-one
| Molecular Formula | C20H27FN2O |
|---|---|
| Molecular Weight | 330.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.21075 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 488706-52-1 |
|---|---|
| SMILES | CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)F)C(C)C |
| InChIKey | OTVYLEUWZNBKEL-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 488706-52-1), with molecular formula C20H27FN2O and molecular weight 330.21 g/mol. IUPAC: 2-(4-fluorophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 3.4 indicates that 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 488706-52-1.
What is the molecular formula of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C20H27FN2O.
What is the molecular weight of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 330.21 g/mol.
Where can I buy 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.